SCHEMBL1709294

SCHEMBL1709294

CC(C)(C)C(=O)NCCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.81
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
ALDH1A1 P00352 3/20 0.71
ALOX12 P18054 2/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
MMP8 P22894 2/20 0.65
MAPT P10636 2/20 0.65
OPRK1 P41145 1/20 0.61
CA12 O43570 2/20 0.58
CA2 P00918 2/20 0.58
CA9 Q16790 2/20 0.58
EPHX1 P07099 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
ESRRG P62508 1/20 0.55
PLAAT5 Q96KN8 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12356333 0.89 POLB (1.00) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL14497820 0.88 POLB (0.90) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL2078764 0.86 POLB (0.61) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL24306040 0.86 MMP8 (0.61) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL13911211 0.84 RIPK1 (0.71) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL12935893 0.84 NPC1 (0.66) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL5540114 0.84 KDM4E (0.66) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL12664469 0.84 POLB (0.58) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL13774782 0.83 OPRK1 (0.68) POLBNPC1RAB9AALDH1A1ALOX12
SCHEMBL2584479 0.82 POLB (0.57) POLBNPC1RAB9AALDH1A1ALOX12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-11319540-B2 HIF 1-alpha antisense oligonucleotides OLIPASS CORPORATION (KR) 2022-05-03 US disclosed
US-20210292767-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES OLIPASS CORPORATION (KR) 2021-09-23 US disclosed
US-20200397797-A1 HETEROCYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2020-12-24 US disclosed
US-10258603-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-04-16 US disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-30 US disclosed
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME BRISTOL-MYERS SQUIBB COMPANY 2010-08-19 US disclosed
EP-1888584-B1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2010-04-21 EP disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2009-12-17 US disclosed
US-7582654-B2 Heterocyclo inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-01 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-7342016-B2 Farnesyl protein transferase inhibitors as antitumor agents SCHERING CORPORATION (US) 2008-03-11 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 US disclosed
US-20030181753-A1 Method for producing amides or esters DEGUSSA AG (DE) 2003-09-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030181753-A1 Method for producing amides or esters INMT, PNMT, AS3MT POLB 1908/4885NPC1 3379/4885RAB9A 4842/4885
US-20100210629-A1 1,6-DIHYDRO-1,3,5,6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME IL1R1, IDO1, TLR1 POLB 4295/4885NPC1 531/4885RAB9A 572/4885
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF POLB 2265/4885NPC1 2431/4885RAB9A 455/4885
US-11319540-B2 HIF 1-alpha antisense oligonucleotides HIF1A, HIF1AN, UPF1 POLB 180/4885NPC1 1465/4885RAB9A 3912/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 POLB 1589/4885NPC1 2024/4885RAB9A 2641/4885
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC POLB 1225/4885NPC1 1698/4885RAB9A 2983/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 POLB 1822/4885NPC1 813/4885RAB9A 1747/4885
US-20090312307-A1 HETEROCYCLO INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNH2, KCNQ5 POLB 4413/4885NPC1 989/4885RAB9A 1780/4885
US-20210292767-A1 HIF 1-ALPHA ANTISENSE OLIGONUCLEOTIDES HIF1A, HIF1AN, UPF1 POLB 180/4885NPC1 1465/4885RAB9A 3912/4885
US-10258603-B2 Therapeutic compounds and uses thereof BRD4, BRDT, BRD3 POLB 1307/4885NPC1 1229/4885RAB9A 1828/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO POLB 2747/4885NPC1 1968/4885RAB9A 2417/4885
US-20200397797-A1 HETEROCYCLIC COMPOUNDS SLC10A1, CFTR, PKD1 POLB 4081/4885NPC1 15/4885RAB9A 163/4885
US-20170340604-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF BRD4, BRDT, BRD3 POLB 1307/4885NPC1 1229/4885RAB9A 1828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.